Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C6H10BrNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2
SMILES BrN1CCCCCC1=O
InChI Key GJNCXCPHNRATIQ-UHFFFAOYSA-N
Molecular Formula C6H10BrNO
Exact Mass 192.054 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GJNCXCPHNRATIQ-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/GJNCXCPHNRATIQ-UHFFFAOYSA-N/CHMO0000604
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 1-bromoazepan-2-one
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    title : Nov20-2023

    date : 20231121

    starting time : 2.01 h

    label : KT-480

    id : 284221

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.